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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sources NASA NTRS DOE OSTI

DOE OSTI2023

A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery

Abstract Material properties share an intrinsic relationship with their structural attributes, making inverse design approaches crucial for discovering new materials with desired functionalities. Reinforcement Learning (RL) approaches are emerging as powerful inverse design tools, often functioning in discrete action spaces. This constrains their application in materials design problems, which involve continuous search spaces. Here, we introduce an RL-based framework CASTING (Continuous Action Space Tree Search for inverse design), that employs a decision tree-based Monte Carlo Tree Search (MCTS) algorithm with continuous space adaptation through modified policies and sampling. Using representative examples like Silver (Ag) for metals, Carbon (C) for covalent systems, and multicomponent systems such as graphane, boron nitride, and complex correlated oxides, we showcase its accuracy, convergence speed, and scalability in materials discovery and design. Furthermore, with the inverse design of super-hard Carbon phases, we demonstrate CASTING’s utility in discovering metastable phases tailored to user-defined target properties and preferences.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Triple Plate Mold Final Report: Optimization of the Mold Design and Casting Parameters for a Thin U-10mo Fuel Casting

This work describes the experiments and modeling that have been performed to improve and try to optimize the simultaneous casting of three plates of U-10wt%Mo in a single coil vacuum induction melting (VIM) furnace. The plates of interest are 280 mm wide by 203 mm tall by 5 mm thick (11" x 8" x 0.2"). The initial mold design and processing parameters were supplied by Y-12. The mold and casting cavity were instrumented with a number of thermocouples, and the casting performed to determine the thermal history of the mold and casting. The resulting cast plates were radiographed and numerous defects identified. Metallography was performed to help identify the nature of the radiographically observed defects. This information was then used to validate a mold filling and solidification model of that casting. Based on the initial casting, good casting design practice, and process simulation of several design alternatives, a revised design was developed with the goal of minimizing casting defects such as porosity. The redesigned mold had a larger hot-top and had its long axis along the horizontal direction. These changes were to try to develop a strong thermal gradient conducive to good feeding and minimization of micro- and macroporosity in the cast plates. An instrumented casting was then performed with the revised mold design and a linear distributor. This design yielded cast plates with significantly less radiographically identified defects. Unfortunately, there was significant variation in plate weight and metal content in their hot-tops. Fluid flow simulations were then performed on this mold/distributor design. This helped identify the issue with this linear distributor design. Additional simulations were then performed on candidate distributor redesigns and a preferred distributor annular design was identified. This improved annular design was used to produce a third instrumented casting with favorable results. These refined designs and their radiographic characterization are compared to the initial design.

36 MATERIALS SCIENCE↗

NASA NTRS2020

Identification of Scenarios for System Interface Design Evaluation: CAST SE-210 Output 2 Report 5 of 6

This report is one in a series of reports describing research to develop enhanced approaches to design and evaluation of flight deck interaction. The research was conducted to support the Commercial Aviation Safety Team (CAST) response to incidents and accidents caused by failure of the flight crew to maintain aircraft attitude or energy state awareness. This report partially responds to Safety Enhancement (SE) 210.2 (CAST, 2014) by describing development of operational scenarios for evaluation of flight crew interaction. Evaluations of human performance with an interface rely on asking humans to perform operational tasks in an appropriate operational context. The report includes the major sources of material for developing operational scenarios—which include system state, operational tasks, operational context, and safety events—and a method for developing an appropriate set of operational scenarios for interface evaluation.

commercial aviation↗

DOE OSTI2023

Results from a controlled depleted uranium metal casting experiment designed to investigate nuclear Forensic Radiochronometry Signatures

The accurate interpretation of uranium metal 230 Th/ 234 U and 231 Pa/ 235 U radiochronometry model ages requires an understanding of how uranium parent nuclides and decay progeny ( 230 Th and 231 Pa) behave during uranium metal casting. In order to directly measure the spatial distribution of 230 Th and 231 Pa in uranium metal before and after vacuum induction melting (VIM), Los Alamos National Laboratory identified uranium metal feedstock, characterized the metal feedstock, conducted a controlled casting experiment of an approximately 120 kg uranium metal rod, and characterized the cast metal. Herein this study presents radiochronometry results and quantified 230 Th and 231 Pa VIM separation factors from bulk uranium.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2016

Development of cast alumina-forming austenitic stainless steels

Cast Fe-Ni-Cr chromia-forming austenitic stainless steels with Ni levels up to 45 wt. % are used at high temperatures in a wide range of industrial applications that demand microstructural stability, corrosion resistance, and creep strength. Although alumina scales offer better corrosion protection at these temperatures, designing cast austenitic alloys that form a stable alumina scale and achieve creep strength comparable to existing cast chromia-forming alloys is challenging. This work outlines the development of cast Fe-Ni-Cr-Al austenitic stainless steels containing about 25 wt. % Ni with good creep strength and the ability to form a protective alumina scale for use at temperatures up to 800 C - 850 C in H 2 O-, S-, and C- containing environments. Creep properties of the best alloy were comparable to that of HK-type cast chromia-forming alloy along with improved oxidation resistance typical of alumina-forming alloys. Lastly, challenges in the design of cast alloys and a potential path to increasing the temperature capability are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2021

VTR Casting Furnace Conceptual Design

This TEV describes the development of a conceptual design for a fuel casting system to be used in the development and demonstration of fuel designs for the new Versatile Test Reactor (VTR). This system will be installed in the Fuel Manufacturing Facility (FMF). The system will be in a shielded glovebox and will be used to melt fuel materials and injection cast these materials into fuel slugs, which will further be used to fabricate fuel elements for the VTR. This TEV covers only the injection casting system itself. Operations such as removing the castings from the injection molds, trimming of the castings, and installation of the castings into fuel element cladding are beyond the scope of the TEV. The conceptual design herein is principally concerned with the mechanical portion of the casting system and does not include details of the control or power supply systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Achieving Metallurgical Bonding in Aluminum/Steel Bimetallic Castings

Abstract Aluminum castings are increasingly being used in automotive powertrain and structural applications for vehicle lightweighting. Cast aluminum parts often need to be machined and joined to steel components in multi-material systems. Bimetallic components produced by casting aluminum over steel substrate are advantageous due to the elimination of machining and traditional dissimilar material joining processes. However, forming a strong metallurgical bonding during overcasting process has been challenging. In this paper, the effects of processing conditions such as substrate surface preparation, pre-heating temperature, melt conditions as well as casting design were studied by investigating the bimetallic interfaces for aluminum A319 casting alloy and a high alloy steel substrate in a sand-casting process. Zn and Al-based substrate coatings were evaluated. The experimental results suggest a metallurgical bond between aluminum and steel can be formed during the sand-casting process via high temperature diffusion with or without coatings. Al-based substrate coating prior to overcasting results in the formation of a continuous layer of intermetallics at the bimetallic interface, with large Al–Si–Fe intermetallics penetrating the cast aluminum.

Moodispaw, Michael P. (ORCID:0000000267635882)↗

DOE OSTI2017

HFIR Fuel Casting Support

Process exploration for fuel production for the High Flux Isotope Reactor (HFIR) using cast LEU-10wt.%Mo as an initial processing step has just begun. This project represents the first trials concerned with casting design and quality. The studies carried out over the course of this year and information contained in this report address the initial mold development to be used as a starting point for future operations. In broad terms, the final billet design is that of a solid rolling blank with an irregular octagonal cross section. The work covered here is a comprehensive view of the initial attempts to produce a sound casting. This report covers the efforts to simulate, predict, cast, inspect, and revise the initial mold design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Improved Casting Furnace Conceptual Design

In an attempt to ensure more consistent casting results and remove some schedule variance associated with casting, an improved casting furnace concept has been developed. The improved furnace uses the existing arc melter hardware and glovebox utilities. The furnace concept was designed around physical and operational requirements such as; a charge sized of less than 30 grams, high heating rates and minimal additional footprint. The conceptual model is shown in the report as well as a summary of how the requirements were met.

42 ENGINEERING↗

DOE OSTI2019

Quantifying and Qualifying Alloys Based on Level of Homogenization: A U-10Mo Alloy Case Study

Homogenization heat treatment is performed to attain uniformity in microstructure which is helpful to achieve the desired workability and microstructure in final products and, eventually, to gain predictive and consistent performance. Fabrication of low-enriched uranium alloys with 10 wt% molybdenum (U-10Mo) fuel plates involves multiple thermomechanical processing steps. It is well known that the molybdenum homogeneity in the final formed product affects the performance in the nuclear reactor. Here, to ensure uniform homogenization, a statistical method is proposed to quantify and characterize the molybdenum concentration variation in U-10Mo fuel plates by analyzing the molybdenum concentration measurement data from scanning electron microscopy energy dispersive spectroscopy line-scan. Statistical tolerance intervals (TI) are employed to determine the qualification of the U-10Mo fuel plate. We formulate an argument for the minimum number of independent samples to define fuel plate qualification if no molybdenum measurement data are available in advance and demonstrate that the given TI requirements can be equivalently reduced to a sample variance criterion in this application. The outcome of the statistical analysis can be used to optimize casting design and eventually increase productivity and reduce fabrication costs. The statistical strategy developed in this paper can be implemented for other applications especially in the field of material manufacturing to assess qualification requirements and monitor and improve the process design.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Relationships Between Solidification Parameters in A319 Aluminum Alloy

The design of high-performance materials depends on a comprehensive understanding of the alloy-specific relationships between solidification and properties. However, the inconsistent use of a particular solidification parameter for presenting materials characterization in the literature impedes inter-study comparability and the interpretation of findings. Therefore, there is a need for accurate expressions relating the solidification parameters for each alloy. In this study, A319 aluminum alloy castings were produced in a permanent mold with various preheating temperatures in order to control metal cooling. Analysis of the cooling curve for each casting enabled the identification of its liquidus, Al-Si eutectic, and solidus temperatures and times. These values led to the calculation of the primary solidification rate, total solidification rate, primary solidification time, and local solidification time for each casting, which were related to each other as well as to the average casting SDAS and material hardness. Expressions for each of their correlations have been presented with high coefficients of determination, which will aid in microstructural prediction and casting design.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Effect of intermediate annealing on the microstructure and mechanical property of ZK60 magnesium alloy produced by twin roll casting and hot rolling

Twin roll cast (designated as TRC in short) ZK60 magnesium alloy strip with 3.5 mm thickness was used in this paper. The TRC ZK60 strip was multi-pass rolled at different temperatures, intermediate annealing heat treatment was performed when the thickness of the strip changed from 3.5 mm to 1 mm, and then continued to be rolled until the thickness reached to 0.5 mm. The effect of intermediate annealing during rolling process on microstructure, texture and room temperature mechanical properties of TRC ZK60 strip was studied by using OM, TEM, XRD and electronic universal testing machine. The introduction of intermediate annealing can contribute to recrystallization in the ZK60 sheet which was greatly deformed, and help to reduce the stress concentration generated in the rolling process. Microstructure uniformity and mechanical properties of the ZK60 alloy sheet were also improved; in particular, the room temperature elongation was greatly improved. When the TRC ZK60 strip was rolled at 300 °C and 350 °C, the room temperature elongation of the rolled sheet with 0.5 mm thickness which was intermediate annealed during the rolling process was increased by 95% and 72% than that of no intermediate annealing, respectively. - Highlights: • Intermediate annealing was introduced during hot rolling process of twin roll cast ZK60 alloy. • Intermediate annealing can contribute to recrystallization and reduce the stress concentration in the deformed ZK60 sheet. • Microstructure uniformity and mechanical properties of the ZK60 sheet were improved, in particular, the room temperature elongation. • The elongation of the rolled ZK60 sheet after intermediate annealed was increased by 95% and 72% than that of no intermediate annealing.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Quantifying and Qualifying Alloys Based on Level of Homogenization: A U–10 wt% Mo Alloy Case Study

Homogenization heat treatment is performed to attain uniformity in microstructure of metals and metal alloys, which is helpful to achieve the desired workability and microstructure in final products, and eventually to gain predictable and consistent performance. Fabrication of fuel plates made from a low-enriched uranium alloy with 10 wt% Mo (U-10Mo) involves multiple thermomechanical processing steps. It is well known that the molybdenum homogeneity in the final formed product affects the fuel performance in the nuclear reactor. To make sure these materials are uniformly homogenized, a statistical method was proposed to quantify and characterize the Mo concentration variation in U-10Mo fuel plates by analyzing the Mo concentration measurement data from scanning electron microscopy–energy dispersive spectroscopy line scans. Statistical tolerance intervals were employed to determine the qualification of U-10Mo fuel plates. We formulate an argument for the minimum number of independent samples required to define fuel plate qualification if no Mo measurement data are available in advance, and demonstrate that the given tolerance interval requirements can be equivalently reduced to a sample variance criterion in this application. The outcome of the statistical analysis can be used to optimize casting design and eventually increase productivity and reduce fabrication cost. The statistical strategy developed in this report can be implemented for other applications, especially in the field of material manufacturing to assess qualification requirements and monitor and improve process design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Development of Cast Valve Bodies For High Temperature Service

Gen 3 Concentrating Solar-Thermal Power (CSP) system components are required to operate at 750°C - 800°C to achieve the Sunshot target of 6 cents/kWh. Haynes ® 282 and IN ® 740H are preferred alloys for the construction of these components due to their high tensile and creep strengths for service at temperatures greater than 750°C. There is significant motivation to lower the cost of materials and components so that the capital costs can be minimized. One approach to reduce costs is to fabricate castings at the lowest possible cost. To obtain the lowest cost in castings, there is a significant need to maximize yields in castings by decreasing rejects due to casting defects and to minimize wastage in material lost in the gating systems. However, very little work has been performed to develop cast products using Haynes ® 282. Although preliminary work has established the feasibility of casting Haynes ® 282 using investment and sand casting, there are no commercial cast components available. In particular, there is significant interest in the development of casting design and process technology for the fabrication of components such as valve bodies using Haynes ® 282.

14 SOLAR ENERGY↗

NASA NTRS1996

CometBoards Users Manual Release 1.0

Several nonlinear mathematical programming algorithms for structural design applications are available at present. These include the sequence of unconstrained minimizations technique, the method of feasible directions, and the sequential quadratic programming technique. The optimality criteria technique and the fully utilized design concept are two other structural design methods. A project was undertaken to bring all these design methods under a common computer environment so that a designer can select any one of these tools that may be suitable for his/her application. To facilitate selection of a design algorithm, to validate and check out the computer code, and to ascertain the relative merits of the design tools, modest finite element structural analysis programs based on the concept of stiffness and integrated force methods have been coupled to each design method. The code that contains both these design and analysis tools, by reading input information from analysis and design data files, can cast the design of a structure as a minimum-weight optimization problem. The code can then solve it with a user-specified optimization technique and a user-specified analysis method. This design code is called CometBoards, which is an acronym for Comparative Evaluation Test Bed of Optimization and Analysis Routines for the Design of Structures. This manual describes for the user a step-by-step procedure for setting up the input data files and executing CometBoards to solve a structural design problem. The manual includes the organization of CometBoards; instructions for preparing input data files; the procedure for submitting a problem; illustrative examples; and several demonstration problems. A set of 29 structural design problems have been solved by using all the optimization methods available in CometBoards. A summary of the optimum results obtained for these problems is appended to this users manual. CometBoards, at present, is available for Posix-based Cray and Convex computers, Iris and Sun workstations, and the VM/CMS system.

Guptill, James D.↗

DOE OSTI2018

Computational Design and Development of a New, Lightweight Cast Alloy for Advanced Cylinder Heads in High-Efficiency, Light-duty Engines

The objective of the collaborative multi-year Cast Lightweight Alloy program was to develop a new, lightweight, cast aluminum alloy for automotive engines with better high temperature properties than the incumbent alloys (B319, A356, A356+0.5Cu) to allow for more efficient engine operation. The program kicked off with the generation of alloy concepts and selecting alloy models with specific milestones for establishing property requirements, generating design concepts and selecting models for casting design. Following this, sub-scale prototypes of the promising design concepts were cast and characterized in order to validate the design concepts and develop data for subsequent model calibration and improvement. Using the calibrated models, a set of alloy designs were created. This first generation set of designs were validated through production and characterization of lab-scale castings. With the learnings from the lab-scale prototypes and the improvements in the computational models, final embodiment design of the new alloy was completed. The final alloy designs were cast at lab-scale and also at component-scale to characterize its final properties. An alloy recyclability analysis and cost modelling was also performed.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Three-Dimensionally Aligned Sulfur Electrodes by Directional Freeze Tape Casting

Rational design of sulfur electrodes is exceptionally important in enabling a high-performance lithium/sulfur cell. Constructing a continuous pore structure of the sulfur electrode that enables facile lithium ion transport into the electrode and mitigates the reconstruction of sulfur is a key factor for enhancing the electrochemical performance. Here, we report a three-dimensionally (3D) aligned sulfur electrode cast onto conventional aluminum foil by directional freeze tape casting. The 3D aligned sulfur-graphene oxide (S-GO) electrode consisting of few micron thick S-GO layers with 10-20 μm interlayer spacings demonstrates significant improvement in the performance of the Li/S cell. Moreover, the freeze tape cast graphene oxide electrode exhibits homogeneous reconfiguration behavior in the polysulfide catholyte cell tests and demonstrated extended cycling capability with only 4% decay of the specific capacity over 200 cycles. Finally, this work emphasizes the critical importance of proper structural design for sulfur-carbonaceous composite electrodes.

25 ENERGY STORAGE↗

DOE OSTI2015

Casting Process Modeling and Validation

Computational simulations of gravity casting for metallic U-Pu-Zr nuclear fuel rods were performed with the free surface flow solver Flow3d. Two different casting apparatus designs were explored for studying the effects on the final cast rod profiles. Experimental data for the casting problem obtained from Idaho National Laboratory (INL) was validated with numerical simulations on one of the designs considered. The volume of the rods cast, length of the rods, and temperature profiles were predicted through the transient casting process and were found to match closely with experimental data. A sensitivity analysis with vent locations, pressure, mesh refinement, and effects of surface tension at the interface were explored. This work serves as a validation benchmark for the casting problem and provides guidelines when performing simulation exercises for modeling casting. This paper also provides the mathematical framework to enabling modeling of the casting process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗